Molecule ID: mol3118
SMILES: CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O
InChI: InChI=1S/C14H32N2O4/c1-11(17)7-15(8-12(2)18)5-6-16(9-13(3)19)10-14(4)20/h11-14,17-20H,5-10H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.24 | IUPAC digitized pKa | 2 » 1 |
| 4.33 | QSARToolbox | 2 » 1 |
| 4.33 | IUPAC digitized pKa | 2 » 1 |
| 4.60 | OCHEM | 2 » 1 |
| 8.54 | OCHEM | 1 » 0 |
| 8.75 | IUPAC digitized pKa | 1 » 0 |
| 8.84 | IUPAC digitized pKa | 1 » 0 |
| 8.84 | QSARToolbox | 1 » 0 |